4-aminoiodanuidyl-4,6-dimethylcycloheptene

C9H17IN- — CID 163437581

IUPAC4-aminoiodanuidyl-4,6-dimethylcycloheptene
SMILESCC1CC=CCC(C)([I-]N)C1
InChIInChI=1S/C9H17IN/c1-8-5-3-4-6-9(2,7-8)10-11/h3-4,8H,5-7,11H2,1-2H3/q-1
InChIKeyCGZNHVTXHSDKTQ-UHFFFAOYSA-N
MW266.15 g/mol
LogP-0.92
Rot. Bonds1

About 4-aminoiodanuidyl-4,6-dimethylcycloheptene

4-aminoiodanuidyl-4,6-dimethylcycloheptene (PubChem CID 163437581) has the molecular formula C9H17IN- and a molecular weight of 266.15 g/mol. Its IUPAC name is 4-aminoiodanuidyl-4,6-dimethylcycloheptene.

Molecular Properties

Compound Name4-aminoiodanuidyl-4,6-dimethylcycloheptene
PubChem CID163437581
Molecular FormulaC9H17IN-
Molecular Weight266.15 g/mol
Exact Mass266.04
IUPAC Name4-aminoiodanuidyl-4,6-dimethylcycloheptene
SMILESCC1CC=CCC(C)([I-]N)C1
InChIInChI=1S/C9H17IN/c1-8-5-3-4-6-9(2,7-8)10-11/h3-4,8H,5-7,11H2,1-2H3/q-1
InChIKeyCGZNHVTXHSDKTQ-UHFFFAOYSA-N
XLogP-0.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(5S)-4,4,5-trimethylcyclohexene
CID 123287242
(3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene
CID 162832197
4-methylcyclopentene;oxophosphane
CID 175055525
1-cyclopent-3-en-1-ylcyclopent-3-en-1-ol
CID 72735362
8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine
CID 135291092
3,3,6-trimethyl(1,2-13C2)cycloheptene
CID 101032290
(5-methyl-1-propylcyclohex-2-en-1-yl)methanamine
CID 126663011
4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene
CID 565023
(4,6,6-trimethylcyclohexen-1-yl)methanol
CID 21263747
4,5-dimethyl-4-nitrocyclohexene
CID 163844382
(5S)-3-deuterio-5-methylcyclohexene
CID 10606702
(1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol
CID 101412393

Frequently Asked Questions

What is the IUPAC name of 4-aminoiodanuidyl-4,6-dimethylcycloheptene?
The IUPAC name of 4-aminoiodanuidyl-4,6-dimethylcycloheptene (CID 163437581) is 4-aminoiodanuidyl-4,6-dimethylcycloheptene.
What is the SMILES notation for 4-aminoiodanuidyl-4,6-dimethylcycloheptene?
The canonical SMILES for 4-aminoiodanuidyl-4,6-dimethylcycloheptene is CC1CC=CCC(C)([I-]N)C1.
What is the InChIKey of 4-aminoiodanuidyl-4,6-dimethylcycloheptene?
The InChIKey is CGZNHVTXHSDKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IN/c1-8-5-3-4-6-9(2,7-8)10-11/h3-4,8H,5-7,11H2,1-2H3/q-1.
What are the key properties of 4-aminoiodanuidyl-4,6-dimethylcycloheptene?
4-aminoiodanuidyl-4,6-dimethylcycloheptene has a molecular weight of 266.15 g/mol, XLogP of -0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoiodanuidyl-4,6-dimethylcycloheptene is sourced from PubChem (CID 163437581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).